Basic information
- CAS
26420-79-1- Standard SMILES
ClCCCOCc1ccccc1- InChIKey
XYQPOKBAQDQMQP-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.06549272
Names & identifiers
- Preferred name
- ((3-Chloropropoxy)methyl)benzene
- IUPAC
- 3-chloropropoxymethylbenzene
- English name
- 1-(Benzyloxy)-3-chloropropane
- Molecular formula
- C10H13ClO
- Molecular weight
- 184.66
Names & synonyms
((3-Chloropropoxy)methyl)benzene[(3-chloropropoxy)methyl]benzeneRefChem:390006814-938-026420-79-11-(BENZYLOXY)-3-CHLOROPROPANE3-chloropropoxymethylbenzeneBenzene, [(3-chloropropoxy)methyl]-MFCD000281961-chloro-3-benzyloxypropaneNSC61691-chloro-3- benzyloxypropane
Show more names
Benzyl 3-chloropropyl ether3-Benzyloxy-1-chloropropane3-Chloro-1-benzyloxypropaneBenzyl(3-chloropropyl) ether
1-chloro-3-benzyloxy-propaneSCHEMBL1001167SCHEMBL3657712SCHEMBL275296643-chloropropyl phenylmethyl etherDTXSID10278117XYQPOKBAQDQMQP-UHFFFAOYSA-NBBA42079
Database identifiers
- CAS
26420-79-1- PubChem CID
- 221505
- DTXSID
DTXSID10278117- EC Number
- 814-938-0
- Nikkaji
- J32.054D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 131 · 131-133 °C(Press: 20 Torr)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- InChI
- InChI=1S/C10H13ClO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
- InChIKey
- XYQPOKBAQDQMQP-UHFFFAOYSA-N
- SMILES
- C1(COCCCCl)=CC=CC=C1
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers50 total
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Related reactions
16 records
Compound notes
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